Hi all, I would like to take the distance over time between two pair of atoms.
I used gmx distance. to check the value I download the snapshot every 100 ns.. When the distance is within the unit cell everything should be fine. when the distance increase the value seems not to be correct ( comparison between snapshot and value returned using gmx distance. I also double check using VMD and the value seems in agreement with the snapshot and in disagreement with gmx distance output). Do you know how to rationalize this different distance values? I also find this thread https://www.researchgate.net/post/How_to_calculate_distance_between_groups_into_the_nearest_image_using_Gromacs where they suggest to ask this question for clarification Thank you for your help! -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
